3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

C13H18N2O2S — CID 56720871

IUPAC3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESNCC1CN(Cc2cc(C#CCO)cs2)CCO1
InChIInChI=1S/C13H18N2O2S/c14-7-12-8-15(3-5-17-12)9-13-6-11(10-18-13)2-1-4-16/h6,10,12,16H,3-5,7-9,14H2
InChIKeyKIYHADUXHOPGRV-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.25
Rot. Bonds3

About 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 56720871) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID56720871
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESNCC1CN(Cc2cc(C#CCO)cs2)CCO1
InChIInChI=1S/C13H18N2O2S/c14-7-12-8-15(3-5-17-12)9-13-6-11(10-18-13)2-1-4-16/h6,10,12,16H,3-5,7-9,14H2
InChIKeyKIYHADUXHOPGRV-UHFFFAOYSA-N
XLogP0.25
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 56720871) is 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is NCC1CN(Cc2cc(C#CCO)cs2)CCO1.
What is the InChIKey of 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is KIYHADUXHOPGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-7-12-8-15(3-5-17-12)9-13-6-11(10-18-13)2-1-4-16/h6,10,12,16H,3-5,7-9,14H2.
What are the key properties of 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 266.37 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(aminomethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 56720871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).